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Journal Article

Multiple-orbital effects in laser-induced electron diffraction of aligned molecules

MPS-Authors
/persons/resource/persons221949

de Giovannini,  U.
Nano-Bio Spectroscopy Group and ETSF, Departamento Fisica de Materiales, Universidad del País Vasco, CSIC-UPV/EHU-MPC;
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

/persons/resource/persons22028

Rubio,  A.
Nano-Bio Spectroscopy Group and ETSF, Departamento Fisica de Materiales, Universidad del País Vasco, CSIC-UPV/EHU-MPC;
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

External Resource

https://dx.doi.org/10.1103/PhysRevA.98.041401
(Publisher version)

https://arxiv.org/abs/1905.03596
(Preprint)

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Fulltext (public)

PhysRevA.98.041401.pdf
(Publisher version), 2MB

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Citation

Krečinić, F., Wopperer, P., Frusteri, B., Brauße, F., Brisset, J., de Giovannini, U., et al. (2018). Multiple-orbital effects in laser-induced electron diffraction of aligned molecules. Physical Review A, 98: 041401(R). doi:10.1103/PhysRevA.98.041401.


Cite as: https://hdl.handle.net/21.11116/0000-0002-5461-2
Abstract
Photoelectron angular distributions (PADs) resulting from 800 and 1300 nm strong-field ionization of impulsively aligned CF3I molecules were analyzed using time-dependent density functional theory (TDDFT). The normalized difference between the PADs for aligned and antialigned molecules displays large modulations in the high-energy recollision plateau that are assigned to the diffraction of backscattered photoelectrons. The TDDFT calculations reveal that, in spite of their 2.6 eV energy difference, ionization from the HOMO-1 orbital contributes to the diffraction pattern on the same footing as ionization from the doubly degenerate HOMO orbital.